5318997 -OEChem-05102415192D 88 92 0 1 0 0 0 0 0999 V2000 5.1350 -2.7873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0346 2.7852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.7873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7666 2.7786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -5.7873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -4.7873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -4.7873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0462 5.7852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3103 4.7919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7744 4.7785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -3.2873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6230 0.2752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1208 0.2919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0308 1.7852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0987 3.2619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -4.7873 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 -4.2873 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 -4.2873 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2690 -3.2873 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0423 4.7852 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1744 4.2886 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0010 -3.2873 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9064 4.2819 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1705 3.2886 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9026 3.2819 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 -2.7873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3026 2.7919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.7873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7671 -1.2630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7628 1.7786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7551 -0.2214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8910 0.2819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8948 1.2819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9670 -1.2630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6269 1.2752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9790 -0.2214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6370 -1.7563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4948 1.7719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6447 -2.7563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4987 2.7719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3589 1.2686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5145 -3.2496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3666 3.2685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2269 1.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2307 2.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5222 -4.2495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3767 -2.7429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9628 2.7585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -5.0973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.9073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -4.9073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.6673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5066 5.0973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1768 4.9086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.6673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9088 4.9019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1681 2.6686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9002 2.6619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 -2.3123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 -2.3123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9946 3.3300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7644 2.4840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6105 2.2538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -6.0973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -5.4073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -5.4073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5104 6.0973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7722 4.4840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7767 5.3985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4277 -1.5688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2484 -1.8592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8445 -1.1721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.9773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1102 -3.0704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5792 -0.0098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9630 3.0839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3565 0.6486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3690 3.8885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7626 1.4531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9023 -4.2543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5270 -4.8695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1422 -4.2448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6908 -3.2774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9112 -2.4288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0626 -2.2084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6507 2.2228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4985 2.4465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2748 3.2943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 22 1 0 0 0 0 2 24 1 0 0 0 0 2 25 1 0 0 0 0 22 3 1 1 0 0 0 3 28 1 0 0 0 0 25 4 1 6 0 0 0 4 30 1 0 0 0 0 16 5 1 1 0 0 0 5 64 1 0 0 0 0 17 6 1 6 0 0 0 6 65 1 0 0 0 0 18 7 1 6 0 0 0 7 66 1 0 0 0 0 20 8 1 1 0 0 0 8 67 1 0 0 0 0 21 9 1 6 0 0 0 9 68 1 0 0 0 0 23 10 1 1 0 0 0 10 69 1 0 0 0 0 11 26 1 0 0 0 0 11 73 1 0 0 0 0 12 31 1 0 0 0 0 12 35 1 0 0 0 0 13 36 1 0 0 0 0 13 75 1 0 0 0 0 14 33 2 0 0 0 0 15 45 1 0 0 0 0 15 48 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 49 1 0 0 0 0 17 19 1 0 0 0 0 17 50 1 0 0 0 0 18 22 1 0 0 0 0 18 51 1 0 0 0 0 19 26 1 1 0 0 0 19 52 1 0 0 0 0 20 21 1 0 0 0 0 20 23 1 0 0 0 0 20 53 1 0 0 0 0 21 24 1 0 0 0 0 21 54 1 0 0 0 0 22 55 1 0 0 0 0 23 25 1 0 0 0 0 23 56 1 0 0 0 0 24 27 1 1 0 0 0 24 57 1 0 0 0 0 25 58 1 0 0 0 0 26 59 1 0 0 0 0 26 60 1 0 0 0 0 27 61 1 0 0 0 0 27 62 1 0 0 0 0 27 63 1 0 0 0 0 28 29 2 0 0 0 0 28 34 1 0 0 0 0 29 31 1 0 0 0 0 29 37 1 0 0 0 0 30 33 1 0 0 0 0 30 35 2 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 32 36 1 0 0 0 0 34 36 2 0 0 0 0 34 70 1 0 0 0 0 35 38 1 0 0 0 0 37 39 1 0 0 0 0 37 71 1 0 0 0 0 37 72 1 0 0 0 0 38 40 2 0 0 0 0 38 41 1 0 0 0 0 39 42 2 0 0 0 0 39 74 1 0 0 0 0 40 43 1 0 0 0 0 40 76 1 0 0 0 0 41 44 2 0 0 0 0 41 77 1 0 0 0 0 42 46 1 0 0 0 0 42 47 1 0 0 0 0 43 45 2 0 0 0 0 43 78 1 0 0 0 0 44 45 1 0 0 0 0 44 79 1 0 0 0 0 46 80 1 0 0 0 0 46 81 1 0 0 0 0 46 82 1 0 0 0 0 47 83 1 0 0 0 0 47 84 1 0 0 0 0 47 85 1 0 0 0 0 48 86 1 0 0 0 0 48 87 1 0 0 0 0 48 88 1 0 0 0 0 M END > 5318997 > 1 > 1170 > 15 > 8 > 9 > AAADcfB8PAAAAAAAAAAAAAAAAAAAAAAAAAA0aIECAAAAAACBQAAAGgAACAAADBSwmAMyDoAABgCIAqBSAAICCAAkIAAIiAFGCMgdNzaGNR6ieWCl4BUPuQfI7PzOIAACCAAIAABAAAQQABAAAAAAAAAAAA== > 5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-chromen-4-one > 5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-3-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-1-benzopyran-4-one > 5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one > 5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one > 7-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-3-[(2S,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-chromen-4-one > 5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-chromone > InChI=1S/C33H40O15/c1-13(2)5-10-17-19(45-33-28(42)26(40)23(37)20(12-34)46-33)11-18(35)21-24(38)31(48-32-27(41)25(39)22(36)14(3)44-32)29(47-30(17)21)15-6-8-16(43-4)9-7-15/h5-9,11,14,20,22-23,25-28,32-37,39-42H,10,12H2,1-4H3/t14-,20+,22-,23+,25+,26-,27+,28+,32-,33+/m0/s1 > TZJALUIVHRYQQB-XLRXWWTNSA-N > 1.7 > 676.23672056 > C33H40O15 > 676.7 > CC1C(C(C(C(O1)OC2=C(OC3=C(C2=O)C(=CC(=C3CC=C(C)C)OC4C(C(C(C(O4)CO)O)O)O)O)C5=CC=C(C=C5)OC)O)O)O > C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=C(C2=O)C(=CC(=C3CC=C(C)C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)C5=CC=C(C=C5)OC)O)O)O > 234 > 676.23672056 > 0 > 48 > 10 > 0 > 0 > 0 > 0 > 1 > 5 > 1 5 255 > 23 10 5 12 31 8 12 35 8 19 26 5 24 27 5 28 29 8 28 34 8 29 31 8 22 3 5 30 33 8 30 35 8 31 32 8 32 33 8 32 36 8 34 36 8 38 40 8 38 41 8 25 4 6 40 43 8 41 44 8 43 45 8 44 45 8 16 5 5 17 6 6 18 7 6 20 8 5 21 9 6 $$$$